4W5U
Crystal structure of chitinase 40 from thermophilic bacteria Streptomyces thermoviolaceus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-14 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 183.150, 183.150, 130.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.000 - 2.771 |
R-factor | 0.1515 |
Rwork | 0.150 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | The model structure was generated by the GeneSilico Metaserver. |
RMSD bond length | 0.014 |
RMSD bond angle | 1.478 |
Data reduction software | XDS (2.5.1) |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1772)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.940 | |
High resolution limit [Å] | 2.770 | 8.210 | 2.770 |
Rmerge | 0.149 | 0.041 | 1.008 |
Rmeas | 0.157 | 0.043 | 1.063 |
Total number of observations | 332669 | ||
Number of reflections | 33170 | 1433 | 5170 |
<I/σ(I)> | 13.53 | 37.03 | 1.91 |
Completeness [%] | 99.4 | 99 | 98.1 |
Redundancy | 10.03 | 9.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 1.9 M sodium malonate |